Receptor
PDB id Resolution Class Description Source Keywords
2G9K 1.85 Å NON-ENZYME: TRANSPORT HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH HYDROXYLATED POLYCH BIPHENYL-4-HYDROXY-2',3,3',4',5-PENTACHLOROBIPHENYL HOMO SAPIENS TTR AMYLOID TRANSTHYRETIN HORMONE-GROWTH FACTOR COMPLEX
Ref.: HYDROXYLATED POLYCHLORINATED BIPHENYLS SELECTIVELY TRANSTHYRETIN IN BLOOD AND INHIBIT AMYLOIDOGENESIS: RATIONALIZING RODENT PCB TOXICITY CHEM.BIOL. V. 11 1719 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NE1 A:501;
B:500;
Valid;
Valid;
none;
none;
submit data
342.432 C12 H5 Cl5 O c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TCT 1.3 Å NON-ENZYME: TRANSPORT STRUCTURE OF WILD-TYPE TTR IN COMPLEX WITH TAFAMIDIS HOMO SAPIENS AMYLOID AMYLOIDOSIS DISEASE MUTATION GAMMA-CARBOXYGLUTAMIGLYCOPROTEIN HORMONE NEUROPATHY SECRETED THYROID HORMONTRANSPORT KINETIC STABILIZER INHIBITION OF THE AMYLOID CABINDING PROTEIN
Ref.: TAFAMIDIS, A POTENT AND SELECTIVE TRANSTHYRETIN KIN STABILIZER THAT INHIBITS THE AMYLOID CASCADE. PROC.NATL.ACAD.SCI.USA V. 109 9629 2012
Members (151)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 2B16 - DNF C6 H4 N2 O5 c1cc(c(cc1....
2 4ABV ic50 = 0.85 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
3 5JID - 8PF C8 H F15 O2 C(=O)(C(C(....
4 5JIM - P8S C8 H F17 O3 S C(C(C(C(C(....
5 6TI9 - ND5 C10 H9 Br2 N O4 c1c(cc(c(c....
6 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
7 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
8 5AKV - G7G C21 H18 O11 c1cc(ccc1C....
9 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
10 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
11 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
12 4DER Kd = 0.49 uM AGI C15 H10 O5 c1cc(ccc1C....
13 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
14 5L4M Kd = 4.6 uM SBK C7 H4 Cl3 N O3 c1c(c(nc(c....
15 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
16 6GRP Kd = 3.34 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
17 5AKS - R3X C20 H20 O9 c1cc(ccc1/....
18 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
19 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
20 4HIQ Kd = 6.2 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
21 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
22 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
23 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
24 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
25 3TCT Kd = 3 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
26 5E23 - L32 C15 H9 Br2 N O3 c1cc-2c(cc....
27 4QYA - LU2 C15 H10 O6 c1cc(c(cc1....
28 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
29 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
30 4HIS Kd = 8.1 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
31 5AKT - R4G C20 H20 O9 c1cc(ccc1/....
32 5L4J Kd = 52 uM 6JD C12 H10 O4 S c1cc(ccc1O....
33 5CR1 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
34 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
35 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
36 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
37 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
38 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
39 5EZP - IPJ C15 H12 O2 c1ccc(cc1)....
40 3D2T Kd = 75 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
41 4D7B Kd = 21 nM TCW C14 H11 N O5 Cc1ccc(cc1....
42 6TXV Kd = 3.1 uM TCW C14 H11 N O5 Cc1ccc(cc1....
43 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
44 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
45 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
46 4TQH - ES8 C15 H11 N O3 c1ccc2c(c1....
47 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
48 5IHH Kd = 390 nM 6B5 C16 H12 O6 COc1cc(c2c....
49 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
50 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
51 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
52 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
53 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
54 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
55 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
56 6GR7 Kd = 3.19 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
57 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
58 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
59 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
60 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
61 5TZL - IIH C13 H6 Cl I2 N O2 c1cc2c(c(c....
62 4TQI - 6BD C17 H15 N O3 C[C@@H](CO....
63 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
64 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
65 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
66 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
67 4WNJ - QUE C15 H10 O7 c1cc(c(cc1....
68 5AL0 - R3S C14 H12 O6 S c1cc(ccc1/....
69 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
70 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
71 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
72 5L4I Kd = 0.26 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
73 4WNS - 3RL C16 H16 O3 COc1cc(cc(....
74 4YDN - 4B8 C14 H8 Cl2 N2 O3 c1cc(ccc1c....
75 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
76 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
77 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
78 4TQ8 - 7BD C16 H13 N O3 c1ccc2c(c1....
79 4PME - CUR C21 H20 O6 COc1cc(ccc....
80 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
81 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
82 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
83 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
84 5E4O - L57 C15 H11 Cl2 N O3 c1ccc(cc1)....
85 1TYR Kd = 0.1 uM 9CR C20 H28 O2 CC1=C(C(CC....
86 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
87 5HJG Kd = 20 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
88 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
89 6XTK Kd = 0.029 uM TCW C14 H11 N O5 Cc1ccc(cc1....
90 4DEU Kd = 2.29 uM NAR C15 H12 O5 c1cc(ccc1[....
91 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
92 4QXV - LU2 C15 H10 O6 c1cc(c(cc1....
93 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
94 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
95 5A6I Kd = 56 nM TCW C14 H11 N O5 Cc1ccc(cc1....
96 5L4F Kd = 1.3 uM 6J1 C7 H6 N2 O5 Cc1cc(c(c(....
97 4TQP - 48R C18 H18 N2 O4 S C[C@H](CON....
98 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
99 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
100 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
101 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
102 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
103 5JIQ - 27M C13 H10 O5 c1cc(c(cc1....
104 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
105 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
106 6TXW Kd = 0.11 uM TCW C14 H11 N O5 Cc1ccc(cc1....
107 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
108 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
109 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
110 5E4A - 5JW C15 H9 Cl2 N O3 c1cc-2c(cc....
111 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
112 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
113 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
114 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
115 5EN3 Kd = 620 nM 7LU C15 H9 Cl O5 c1cc(c(cc1....
116 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
117 4DET Kd = 2.1 uM KMP C15 H10 O6 c1cc(ccc1C....
118 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
119 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
120 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
121 5BOJ Kd = 100 nM 4TX C15 H22 O3 Cc1ccc(c(c....
122 7ACU ic50 = 4.3 uM R75 C17 H12 Br2 O3 CCc1c(c2cc....
123 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
124 4WO0 - AGI C15 H10 O5 c1cc(ccc1C....
125 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
126 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
127 6R6I - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
128 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
129 5AL8 - D75 C21 H18 O10 c1cc(ccc1C....
130 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
131 1DVS - STL C14 H12 O3 c1cc(ccc1C....
132 5AYT Ki = 0.17 uM L6Y C19 H11 N O4 c1ccc(cc1)....
133 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
134 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
135 4YDM - 4AJ C14 H8 Cl2 N2 O3 c1cc(cc(c1....
136 4PMF - CUR C21 H20 O6 COc1cc(ccc....
137 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
138 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
139 4Y9B - MKS C24 H26 O6 CC(=CCc1c(....
140 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
141 4QRF - QAP C17 H16 O4 c1ccc(cc1)....
142 6R68 - JTK C15 H11 Cl2 F O2 C[C@H](c1c....
143 4DES Kd = 1.4 uM 57D C15 H10 O4 c1ccc(cc1)....
144 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
145 4N87 - GBJ C20 H20 O4 CC1(C=Cc2c....
146 4PWH - PWH C14 H16 O4 CC(=CCOC(=....
147 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
148 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
149 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
150 4DEW Kd = 0.1 uM LU2 C15 H10 O6 c1cc(c(cc1....
151 4Y9E - MKT C23 H24 O6 CC(=CCc1c(....
70% Homology Family (176)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 2B16 - DNF C6 H4 N2 O5 c1cc(c(cc1....
2 4ABV ic50 = 0.85 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
3 5JID - 8PF C8 H F15 O2 C(=O)(C(C(....
4 5JIM - P8S C8 H F17 O3 S C(C(C(C(C(....
5 6TI9 - ND5 C10 H9 Br2 N O4 c1c(cc(c(c....
6 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
7 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
8 5AKV - G7G C21 H18 O11 c1cc(ccc1C....
9 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
10 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
11 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
12 4DER Kd = 0.49 uM AGI C15 H10 O5 c1cc(ccc1C....
13 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
14 5L4M Kd = 4.6 uM SBK C7 H4 Cl3 N O3 c1c(c(nc(c....
15 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
16 6GRP Kd = 3.34 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
17 5AKS - R3X C20 H20 O9 c1cc(ccc1/....
18 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
19 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
20 4HIQ Kd = 6.2 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
21 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
22 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
23 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
24 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
25 3TCT Kd = 3 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
26 5E23 - L32 C15 H9 Br2 N O3 c1cc-2c(cc....
27 4QYA - LU2 C15 H10 O6 c1cc(c(cc1....
28 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
29 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
30 4HIS Kd = 8.1 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
31 5AKT - R4G C20 H20 O9 c1cc(ccc1/....
32 5L4J Kd = 52 uM 6JD C12 H10 O4 S c1cc(ccc1O....
33 5CR1 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
34 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
35 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
36 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
37 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
38 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
39 5EZP - IPJ C15 H12 O2 c1ccc(cc1)....
40 3D2T Kd = 75 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
41 4D7B Kd = 21 nM TCW C14 H11 N O5 Cc1ccc(cc1....
42 6TXV Kd = 3.1 uM TCW C14 H11 N O5 Cc1ccc(cc1....
43 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
44 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
45 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
46 4TQH - ES8 C15 H11 N O3 c1ccc2c(c1....
47 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
48 5IHH Kd = 390 nM 6B5 C16 H12 O6 COc1cc(c2c....
49 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
50 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
51 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
52 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
53 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
54 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
55 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
56 6GR7 Kd = 3.19 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
57 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
58 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
59 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
60 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
61 5TZL - IIH C13 H6 Cl I2 N O2 c1cc2c(c(c....
62 4TQI - 6BD C17 H15 N O3 C[C@@H](CO....
63 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
64 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
65 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
66 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
67 4WNJ - QUE C15 H10 O7 c1cc(c(cc1....
68 5AL0 - R3S C14 H12 O6 S c1cc(ccc1/....
69 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
70 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
71 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
72 5L4I Kd = 0.26 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
73 4WNS - 3RL C16 H16 O3 COc1cc(cc(....
74 4YDN - 4B8 C14 H8 Cl2 N2 O3 c1cc(ccc1c....
75 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
76 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
77 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
78 4TQ8 - 7BD C16 H13 N O3 c1ccc2c(c1....
79 4PME - CUR C21 H20 O6 COc1cc(ccc....
80 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
81 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
82 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
83 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
84 5E4O - L57 C15 H11 Cl2 N O3 c1ccc(cc1)....
85 1TYR Kd = 0.1 uM 9CR C20 H28 O2 CC1=C(C(CC....
86 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
87 5HJG Kd = 20 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
88 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
89 6XTK Kd = 0.029 uM TCW C14 H11 N O5 Cc1ccc(cc1....
90 4DEU Kd = 2.29 uM NAR C15 H12 O5 c1cc(ccc1[....
91 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
92 4QXV - LU2 C15 H10 O6 c1cc(c(cc1....
93 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
94 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
95 5A6I Kd = 56 nM TCW C14 H11 N O5 Cc1ccc(cc1....
96 5L4F Kd = 1.3 uM 6J1 C7 H6 N2 O5 Cc1cc(c(c(....
97 4TQP - 48R C18 H18 N2 O4 S C[C@H](CON....
98 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
99 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
100 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
101 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
102 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
103 5JIQ - 27M C13 H10 O5 c1cc(c(cc1....
104 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
105 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
106 6TXW Kd = 0.11 uM TCW C14 H11 N O5 Cc1ccc(cc1....
107 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
108 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
109 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
110 5E4A - 5JW C15 H9 Cl2 N O3 c1cc-2c(cc....
111 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
112 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
113 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
114 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
115 5EN3 Kd = 620 nM 7LU C15 H9 Cl O5 c1cc(c(cc1....
116 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
117 4DET Kd = 2.1 uM KMP C15 H10 O6 c1cc(ccc1C....
118 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
119 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
120 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
121 5BOJ Kd = 100 nM 4TX C15 H22 O3 Cc1ccc(c(c....
122 7ACU ic50 = 4.3 uM R75 C17 H12 Br2 O3 CCc1c(c2cc....
123 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
124 4WO0 - AGI C15 H10 O5 c1cc(ccc1C....
125 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
126 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
127 6R6I - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
128 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
129 5AL8 - D75 C21 H18 O10 c1cc(ccc1C....
130 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
131 1DVS - STL C14 H12 O3 c1cc(ccc1C....
132 5AYT Ki = 0.17 uM L6Y C19 H11 N O4 c1ccc(cc1)....
133 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
134 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
135 4YDM - 4AJ C14 H8 Cl2 N2 O3 c1cc(cc(c1....
136 4PMF - CUR C21 H20 O6 COc1cc(ccc....
137 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
138 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
139 4Y9B - MKS C24 H26 O6 CC(=CCc1c(....
140 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
141 4QRF - QAP C17 H16 O4 c1ccc(cc1)....
142 6R68 - JTK C15 H11 Cl2 F O2 C[C@H](c1c....
143 4DES Kd = 1.4 uM 57D C15 H10 O4 c1ccc(cc1)....
144 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
145 4N87 - GBJ C20 H20 O4 CC1(C=Cc2c....
146 4PWH - PWH C14 H16 O4 CC(=CCOC(=....
147 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
148 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
149 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
150 4DEW Kd = 0.1 uM LU2 C15 H10 O6 c1cc(c(cc1....
151 4Y9E - MKT C23 H24 O6 CC(=CCc1c(....
152 6GNR Kd = 3.61 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
153 1SN5 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
154 1SN0 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
155 6GNM Kd = 54.61 uM 27M C13 H10 O5 c1cc(c(cc1....
156 6GOO Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
157 6GNP Kd = 28.41 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
158 6GNW Kd = 10.2 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
159 6GON Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
160 4PWI - ROA C18 H16 O8 c1cc(c(cc1....
161 6IMY - AJU C17 H24 O8 c1cc2c(cc1....
162 4PWF - PWF C18 H18 O4 COc1cc(ccc....
163 6R66 - JTN C16 H11 Cl2 F O2 c1cc(c(cc1....
164 4PWK - PWK C20 H26 O4 C[C@H](Cc1....
165 6R67 - JTE C17 H17 F O2 Cc1cc(cc(c....
166 4Y9F - MKT C23 H24 O6 CC(=CCc1c(....
167 6SUG - LVB C14 H11 N O4 Cc1ccc(cc1....
168 6SUH - LVE C15 H13 N O5 Cc1ccc(cc1....
169 4PWJ - 30Z C18 H22 O4 C[C@@H](Cc....
170 4Y9C - MKS C24 H26 O6 CC(=CCc1c(....
171 4Y9G - MKU C24 H26 O6 CC(=CCc1c2....
172 4N86 - GBJ C20 H20 O4 CC1(C=Cc2c....
173 4PWG - 0XR C11 H12 O4 CCOC(=O)/C....
174 1KGJ - FL8 C16 H10 Br2 O4 CC1=C(Oc2c....
175 1KGI - T4A C14 H8 I4 O4 c1c(cc(c(c....
176 1IE4 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
50% Homology Family (177)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 2B16 - DNF C6 H4 N2 O5 c1cc(c(cc1....
2 4ABV ic50 = 0.85 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
3 5JID - 8PF C8 H F15 O2 C(=O)(C(C(....
4 5JIM - P8S C8 H F17 O3 S C(C(C(C(C(....
5 6TI9 - ND5 C10 H9 Br2 N O4 c1c(cc(c(c....
6 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
7 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
8 5AKV - G7G C21 H18 O11 c1cc(ccc1C....
9 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
10 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
11 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
12 4DER Kd = 0.49 uM AGI C15 H10 O5 c1cc(ccc1C....
13 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
14 5L4M Kd = 4.6 uM SBK C7 H4 Cl3 N O3 c1c(c(nc(c....
15 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
16 6GRP Kd = 3.34 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
17 5AKS - R3X C20 H20 O9 c1cc(ccc1/....
18 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
19 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
20 4HIQ Kd = 6.2 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
21 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
22 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
23 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
24 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
25 3TCT Kd = 3 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
26 5E23 - L32 C15 H9 Br2 N O3 c1cc-2c(cc....
27 4QYA - LU2 C15 H10 O6 c1cc(c(cc1....
28 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
29 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
30 4HIS Kd = 8.1 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
31 5AKT - R4G C20 H20 O9 c1cc(ccc1/....
32 5L4J Kd = 52 uM 6JD C12 H10 O4 S c1cc(ccc1O....
33 5CR1 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
34 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
35 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
36 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
37 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
38 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
39 5EZP - IPJ C15 H12 O2 c1ccc(cc1)....
40 3D2T Kd = 75 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
41 4D7B Kd = 21 nM TCW C14 H11 N O5 Cc1ccc(cc1....
42 6TXV Kd = 3.1 uM TCW C14 H11 N O5 Cc1ccc(cc1....
43 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
44 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
45 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
46 4TQH - ES8 C15 H11 N O3 c1ccc2c(c1....
47 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
48 5IHH Kd = 390 nM 6B5 C16 H12 O6 COc1cc(c2c....
49 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
50 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
51 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
52 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
53 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
54 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
55 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
56 6GR7 Kd = 3.19 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
57 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
58 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
59 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
60 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
61 5TZL - IIH C13 H6 Cl I2 N O2 c1cc2c(c(c....
62 4TQI - 6BD C17 H15 N O3 C[C@@H](CO....
63 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
64 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
65 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
66 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
67 4WNJ - QUE C15 H10 O7 c1cc(c(cc1....
68 5AL0 - R3S C14 H12 O6 S c1cc(ccc1/....
69 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
70 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
71 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
72 5L4I Kd = 0.26 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
73 4WNS - 3RL C16 H16 O3 COc1cc(cc(....
74 4YDN - 4B8 C14 H8 Cl2 N2 O3 c1cc(ccc1c....
75 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
76 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
77 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
78 4TQ8 - 7BD C16 H13 N O3 c1ccc2c(c1....
79 4PME - CUR C21 H20 O6 COc1cc(ccc....
80 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
81 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
82 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
83 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
84 5E4O - L57 C15 H11 Cl2 N O3 c1ccc(cc1)....
85 1TYR Kd = 0.1 uM 9CR C20 H28 O2 CC1=C(C(CC....
86 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
87 5HJG Kd = 20 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
88 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
89 6XTK Kd = 0.029 uM TCW C14 H11 N O5 Cc1ccc(cc1....
90 4DEU Kd = 2.29 uM NAR C15 H12 O5 c1cc(ccc1[....
91 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
92 4QXV - LU2 C15 H10 O6 c1cc(c(cc1....
93 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
94 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
95 5A6I Kd = 56 nM TCW C14 H11 N O5 Cc1ccc(cc1....
96 5L4F Kd = 1.3 uM 6J1 C7 H6 N2 O5 Cc1cc(c(c(....
97 4TQP - 48R C18 H18 N2 O4 S C[C@H](CON....
98 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
99 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
100 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
101 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
102 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
103 5JIQ - 27M C13 H10 O5 c1cc(c(cc1....
104 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
105 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
106 6TXW Kd = 0.11 uM TCW C14 H11 N O5 Cc1ccc(cc1....
107 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
108 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
109 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
110 5E4A - 5JW C15 H9 Cl2 N O3 c1cc-2c(cc....
111 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
112 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
113 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
114 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
115 5EN3 Kd = 620 nM 7LU C15 H9 Cl O5 c1cc(c(cc1....
116 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
117 4DET Kd = 2.1 uM KMP C15 H10 O6 c1cc(ccc1C....
118 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
119 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
120 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
121 5BOJ Kd = 100 nM 4TX C15 H22 O3 Cc1ccc(c(c....
122 7ACU ic50 = 4.3 uM R75 C17 H12 Br2 O3 CCc1c(c2cc....
123 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
124 4WO0 - AGI C15 H10 O5 c1cc(ccc1C....
125 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
126 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
127 6R6I - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
128 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
129 5AL8 - D75 C21 H18 O10 c1cc(ccc1C....
130 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
131 1DVS - STL C14 H12 O3 c1cc(ccc1C....
132 5AYT Ki = 0.17 uM L6Y C19 H11 N O4 c1ccc(cc1)....
133 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
134 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
135 4YDM - 4AJ C14 H8 Cl2 N2 O3 c1cc(cc(c1....
136 4PMF - CUR C21 H20 O6 COc1cc(ccc....
137 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
138 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
139 4Y9B - MKS C24 H26 O6 CC(=CCc1c(....
140 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
141 4QRF - QAP C17 H16 O4 c1ccc(cc1)....
142 6R68 - JTK C15 H11 Cl2 F O2 C[C@H](c1c....
143 4DES Kd = 1.4 uM 57D C15 H10 O4 c1ccc(cc1)....
144 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
145 4N87 - GBJ C20 H20 O4 CC1(C=Cc2c....
146 4PWH - PWH C14 H16 O4 CC(=CCOC(=....
147 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
148 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
149 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
150 4DEW Kd = 0.1 uM LU2 C15 H10 O6 c1cc(c(cc1....
151 4Y9E - MKT C23 H24 O6 CC(=CCc1c(....
152 6GNO Kd = 0.18 uM XDI C15 H12 Br4 O2 CC(C)(c1cc....
153 6GNR Kd = 3.61 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
154 1SN5 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
155 1SN0 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
156 6GNM Kd = 54.61 uM 27M C13 H10 O5 c1cc(c(cc1....
157 6GOO Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
158 6GNP Kd = 28.41 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
159 6GNW Kd = 10.2 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
160 6GON Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
161 4PWI - ROA C18 H16 O8 c1cc(c(cc1....
162 6IMY - AJU C17 H24 O8 c1cc2c(cc1....
163 4PWF - PWF C18 H18 O4 COc1cc(ccc....
164 6R66 - JTN C16 H11 Cl2 F O2 c1cc(c(cc1....
165 4PWK - PWK C20 H26 O4 C[C@H](Cc1....
166 6R67 - JTE C17 H17 F O2 Cc1cc(cc(c....
167 4Y9F - MKT C23 H24 O6 CC(=CCc1c(....
168 6SUG - LVB C14 H11 N O4 Cc1ccc(cc1....
169 6SUH - LVE C15 H13 N O5 Cc1ccc(cc1....
170 4PWJ - 30Z C18 H22 O4 C[C@@H](Cc....
171 4Y9C - MKS C24 H26 O6 CC(=CCc1c(....
172 4Y9G - MKU C24 H26 O6 CC(=CCc1c2....
173 4N86 - GBJ C20 H20 O4 CC1(C=Cc2c....
174 4PWG - 0XR C11 H12 O4 CCOC(=O)/C....
175 1KGJ - FL8 C16 H10 Br2 O4 CC1=C(Oc2c....
176 1KGI - T4A C14 H8 I4 O4 c1c(cc(c(c....
177 1IE4 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NE1; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 NE1 1 1
2 PCQ 0.428571 0.913043
Similar Ligands (3D)
Ligand no: 1; Ligand: NE1; Similar ligands found: 263
No: Ligand Similarity coefficient
1 NE2 0.9745
2 LJ3 0.9310
3 MR5 0.9288
4 C2M 0.9272
5 7FZ 0.9247
6 MR4 0.9243
7 XYP XYP 0.9214
8 XYP XIF 0.9213
9 XIF XYP 0.9205
10 CJZ 0.9199
11 2GD 0.9167
12 FHI 0.9167
13 IIH 0.9164
14 AVX 0.9151
15 4GU 0.9138
16 4G2 0.9125
17 3RP 0.9117
18 MR6 0.9114
19 28B 0.9112
20 1FL 0.9111
21 ADN 0.9070
22 0SY 0.9069
23 XDN XYP 0.9069
24 XYP XDN 0.9055
25 H70 0.9049
26 NOS 0.9041
27 7G2 0.9036
28 NOC 0.9031
29 BP7 0.9030
30 BBY 0.9029
31 Z15 0.9023
32 AWE 0.9020
33 6J3 0.9018
34 IMK 0.9016
35 Z57 0.9016
36 15Q 0.9011
37 PBQ 0.9008
38 2LT 0.8996
39 WOE 0.8995
40 GPK 0.8995
41 DFL 0.8993
42 CJB 0.8993
43 EZN 0.8992
44 X48 0.8989
45 ARJ 0.8989
46 XDL XYP 0.8984
47 TCC 0.8971
48 5N5 0.8970
49 64I 0.8969
50 XYS XYS 0.8963
51 7EL 0.8961
52 XYP XYS 0.8959
53 XYS XYP 0.8953
54 FBC 0.8952
55 4HB 0.8946
56 AD3 0.8946
57 5P3 0.8939
58 5AD 0.8938
59 47X 0.8935
60 GPU 0.8929
61 B2T 0.8927
62 M3E 0.8926
63 XIL 0.8925
64 4FF 0.8925
65 IA2 0.8922
66 5F1 0.8920
67 7EH 0.8920
68 BZE 0.8919
69 7L4 0.8910
70 CX6 0.8902
71 ZRK 0.8900
72 A73 0.8889
73 2QV 0.8886
74 MXD 0.8885
75 5I5 0.8884
76 1V1 0.8877
77 20D 0.8876
78 E3X 0.8869
79 ZRL 0.8866
80 X11 0.8865
81 BPY 0.8864
82 WCU 0.8856
83 51Y 0.8855
84 QME 0.8853
85 8D6 0.8850
86 DKZ 0.8846
87 P2L 0.8843
88 ISX 0.8842
89 3Y7 0.8842
90 B2L 0.8840
91 1SF 0.8838
92 9JT 0.8837
93 A5H 0.8836
94 6QT 0.8835
95 MTP 0.8834
96 IW1 0.8833
97 DK4 0.8833
98 H75 0.8832
99 PIQ 0.8832
100 0DF 0.8832
101 TH1 0.8831
102 EAT 0.8830
103 U13 0.8824
104 5FD 0.8823
105 EF2 0.8823
106 5E5 0.8820
107 DKX 0.8819
108 IMH 0.8815
109 GPQ 0.8814
110 XDK 0.8810
111 W29 0.8809
112 OX2 0.8807
113 2QU 0.8804
114 4F8 0.8801
115 5E4 0.8801
116 CC5 0.8799
117 Z16 0.8797
118 KW7 0.8797
119 FMQ 0.8790
120 TRP 0.8787
121 26C 0.8782
122 78Y 0.8778
123 3D1 0.8776
124 D1M 0.8774
125 789 0.8771
126 5VU 0.8769
127 EI1 0.8768
128 U4J 0.8765
129 C4E 0.8759
130 6BK 0.8759
131 AUV 0.8756
132 6EL 0.8753
133 LU2 0.8750
134 2JM 0.8750
135 3D8 0.8746
136 PRH 0.8746
137 38E 0.8746
138 RPP 0.8746
139 YE6 0.8745
140 Z2T 0.8745
141 BIO 0.8745
142 ZTW 0.8744
143 L5D 0.8743
144 KP2 0.8740
145 IQQ 0.8732
146 27M 0.8732
147 DBQ 0.8731
148 MUK 0.8731
149 8WB 0.8730
150 B21 0.8729
151 Q4G 0.8729
152 Q2S 0.8721
153 1HP 0.8721
154 THM 0.8720
155 8UY 0.8720
156 LJ4 0.8720
157 3AD 0.8718
158 LJ1 0.8718
159 B23 0.8718
160 9FG 0.8717
161 2PK 0.8716
162 1DA 0.8716
163 GEN 0.8715
164 VBC 0.8714
165 1XS 0.8712
166 EES 0.8712
167 TJM 0.8711
168 JSX 0.8709
169 53X 0.8704
170 FL8 0.8704
171 AJ4 0.8701
172 5OR 0.8700
173 JFS 0.8700
174 H4B 0.8700
175 S1D 0.8699
176 LJ5 0.8694
177 Q9T 0.8692
178 6DQ 0.8692
179 54E 0.8690
180 IQW 0.8690
181 PUR 0.8689
182 BZC 0.8688
183 DAH 0.8686
184 7G0 0.8685
185 LR2 0.8685
186 BGC BGC 0.8683
187 041 0.8682
188 B4O 0.8681
189 FHV 0.8681
190 4NR 0.8680
191 GNG 0.8679
192 683 0.8677
193 MTA 0.8676
194 5C1 0.8675
195 BQ5 0.8674
196 UAY 0.8674
197 WVV 0.8673
198 FCD 0.8673
199 50C 0.8671
200 CNI 0.8671
201 G14 0.8670
202 92G 0.8670
203 HRM 0.8668
204 LJ2 0.8668
205 RSV 0.8667
206 4K2 0.8667
207 6ZW 0.8666
208 B1J 0.8665
209 AJD 0.8664
210 XCG 0.8664
211 DFV 0.8663
212 G30 0.8662
213 HPR 0.8658
214 CMG 0.8656
215 URI 0.8656
216 MIL 0.8656
217 CWE 0.8656
218 9FH 0.8651
219 JF8 0.8649
220 26A 0.8649
221 GLC GLC 0.8648
222 2GE 0.8647
223 8M5 0.8647
224 57D 0.8634
225 CP6 0.8634
226 2JX 0.8633
227 0FR 0.8631
228 FTV 0.8622
229 Q0K 0.8620
230 22L 0.8620
231 F18 0.8618
232 Q92 0.8616
233 TVC 0.8614
234 FC2 0.8610
235 AGI 0.8609
236 6FB 0.8606
237 83D 0.8604
238 6T5 0.8604
239 Z21 0.8603
240 17C 0.8602
241 MPK 0.8596
242 7VF 0.8593
243 TMG 0.8592
244 NW1 0.8591
245 5F8 0.8581
246 4GP 0.8580
247 DNQ 0.8579
248 6JM 0.8579
249 120 0.8577
250 FY8 0.8576
251 5CK 0.8575
252 TVZ 0.8569
253 47V 0.8560
254 0ON 0.8557
255 SHG BGC 0.8554
256 EST 0.8553
257 PRL 0.8548
258 BGC GAL 0.8542
259 697 0.8538
260 PLP 0.8533
261 BHS 0.8530
262 6JO 0.8530
263 0XR 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TCT; Ligand: 3MI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3tct.bio1) has 91 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3TCT; Ligand: 3MI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3tct.bio1) has 91 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3TCT; Ligand: 3MI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3tct.bio1) has 91 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3TCT; Ligand: 3MI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3tct.bio1) has 91 residues
No: Leader PDB Ligand Sequence Similarity
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